Greg Landrum
80bb809b31
back out one of those changes
2015-11-14 14:13:36 +01:00
Greg Landrum
2a75463959
get rid of some more warnings
2015-11-14 09:21:05 +01:00
Greg Landrum
9b437d0099
switch off pragmas for gcc<4.2
2015-11-14 08:53:50 +01:00
Brian Kelley
62e41756d4
Ignore type-limits for template class
2015-10-18 21:15:13 -04:00
Brian Kelley
0dcdc46a44
Fixes more unused parameters
2015-10-18 15:13:17 -04:00
Brian Kelley
6ebbeb3bd3
Major conversion of std::string API to const std::string &
2015-09-25 15:15:59 -04:00
Riccardo Vianello
e6a1327822
Code/RDBoost/Exceptions.h moved to Code/RDGeneral
2015-03-16 21:40:40 +01:00
Greg Landrum
879efa3be3
add support for integer arithmatic ops on SparseIntVects. operator+ et al. do not yet work from python
2013-08-26 06:51:13 +02:00
Greg Landrum
72efd4a58b
support a somewhat more consistent API for size/value info across the data types;
...
add DataStructs.ConvertToNumpyArray function;
2012-12-03 08:41:53 +00:00
Greg Landrum
cc45e65939
further clang cleanups
2011-05-27 03:29:56 +00:00
Greg Landrum
5f85129f22
initial support for clang
...
this is minor build-system variations and some code cleanup
the python wrapper still needs cleanup and
the sln stuff doesn't work at all under clang due to weirdness with boost::regex
2011-05-25 19:40:31 +00:00
Greg Landrum
651edcd751
fix and tests issue 3295215
2011-04-30 03:15:46 +00:00
Greg Landrum
f3fbef45c5
update copyright statements
2010-09-26 17:04:37 +00:00
Greg Landrum
423433a3e4
support Tversky similarity for SparseIntVects
2009-06-18 14:37:03 +00:00
Greg Landrum
5e15f07dee
optimization
2008-12-11 16:11:24 +00:00
Greg Landrum
299689095a
operator== and operator!= should be const; support unsigned SparseIntVects as well
2008-07-28 03:40:30 +00:00
Greg Landrum
029e08d6b4
merge in the changes from the 64 bit port branch r703:717
2008-06-11 05:01:17 +00:00
Greg Landrum
a6c1a64d1a
remove some compiler warnings
...
rearrange the argument ordering for the Dice similarity stuff so
that it can be invoked the same as the other similarity metrics.
2008-04-24 19:03:34 +00:00
Greg Landrum
213c2323bd
add returnDistances support to the SparseIntVects too
2008-04-24 12:06:29 +00:00
Greg Landrum
2fdfc3b9e4
- speed up Dice similarity between SparseIntVects (a lot)
...
- add bulk Dice similarity for SIVs to wrapper
- speed up bulk Dice similarity for bit vects
- test a bit more
2008-04-15 05:19:48 +00:00
Greg Landrum
7402b6639f
two more small cleanups
2008-02-16 07:24:46 +00:00
Greg Landrum
1d248607c1
GraphMol/Descriptors:
...
- fix a boundary condition problem
- clean up some compiler warnings
- translate exceptions
2007-10-11 16:49:55 +00:00
Greg Landrum
93834a90bd
remove support for the useAbs function;
...
add bounds support on the dice metric
2007-10-05 15:35:11 +00:00
Greg Landrum
0ab0653c18
move DiceSimilarity code into c++
2007-10-04 03:34:06 +00:00
Greg Landrum
67f7dab587
fix a problem with __len__ in python (can't do it if we return a Long);
...
wrap GetLength() instead;
add getNonzeroElements()
2007-09-28 03:45:03 +00:00
Greg Landrum
7726cb9d8a
getting close to right here; still needs windows testing
2007-09-23 06:54:37 +00:00
Greg Landrum
1fa8cd321b
add SparseIntVect in both c++ and Python
...
This still needs windows testing.
2007-09-22 18:49:37 +00:00
